[5-(azepan-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]-triphenylphosphanium

Formula:C35H34N2OP Mutagenic:none Tumorigenic:none Reproductive Effective:none [5-(azepan-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]-triphenylphosphanium is not a drug-like molecule.

MolName	[5-(azepan-1-yl)-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]-triphenylphosphanium
MolecularFormula	C35H34N2OP
Smiles	C(CCC1)CCN1c(oc(/C=C/c1ccccc1)n1)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChI	InChI=1S/C35H34N2OP/c1-2-16-28-37(27-15-1)35-34(36-33(38-35)26-25-29-17-7-3-8-18-29)39(30-19-9-4-10-20-30,31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-14,17-26H,1-2,15-16,27-28H2/q+1
InChIK	GEQDPQAYQGOZRY-UHFFFAOYSA-N
TotalMolweight	529.642
Molweight	529.642
MonoisotopicMass	529.240875
CLogP	8.9411
CLogS	-8.977
H Acceptors	3
TotalSurfaceArea	420.11
Relative PSA	0.068149
PolarSurfaceArea	29.27
Druglikeness	-11.404
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	phosphonium
Shape Index	0.35897
Fragments	1
Non HAtoms	39
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	29
Sp3Atoms	8
Symmetricatoms	19
Aromatic Nitrogens	1
StereoCon

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